11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine

C16H21N5S — CID 44513554

IUPAC11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2CCCc2sccc2-3)C1
InChIInChI=1S/C16H21N5S/c1-18-10-5-7-21(9-10)15-12-3-2-4-13-11(6-8-22-13)14(12)19-16(17)20-15/h6,8,10,18H,2-5,7,9H2,1H3,(H2,17,19,20)/t10-/m1/s1
InChIKeyWUFMOIRADJGBDK-SNVBAGLBSA-N
MW315.45 g/mol
LogP2.07
Rot. Bonds2

About 11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine

11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine (PubChem CID 44513554) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine.

Molecular Properties

Compound Name11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine
PubChem CID44513554
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2CCCc2sccc2-3)C1
InChIInChI=1S/C16H21N5S/c1-18-10-5-7-21(9-10)15-12-3-2-4-13-11(6-8-22-13)14(12)19-16(17)20-15/h6,8,10,18H,2-5,7,9H2,1H3,(H2,17,19,20)/t10-/m1/s1
InChIKeyWUFMOIRADJGBDK-SNVBAGLBSA-N
XLogP2.07
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine with MolForge

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Related Compounds

6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071320
11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-phenyl-4,5,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine;2,2,2-trifluoroacetic acid
CID 68528683
4-[3-(methylamino)pyrrolidin-1-yl]-8-phenylmethoxy-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 135389233
6-[(3R)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-4-amine
CID 67302144
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25074119
6-[(3S)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),3,5,13,15-hexaen-4-amine
CID 67301773
4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine
CID 71427413
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-[1]benzothiolo[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67772064
6-(3-aminoazetidin-1-yl)-3,5-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-4-amine
CID 66741046
4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dihydro-[1]benzothiepino[5,4-d]pyrimidin-2-amine
CID 25071632
5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;dihydrate
CID 129073743
N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide
CID 97198298

Frequently Asked Questions

What is the IUPAC name of 11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine?
The IUPAC name of 11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine (CID 44513554) is 11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine.
What is the SMILES notation for 11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine?
The canonical SMILES for 11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine is CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2sccc2-3)C1.
What is the InChIKey of 11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine?
The InChIKey is WUFMOIRADJGBDK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21N5S/c1-18-10-5-7-21(9-10)15-12-3-2-4-13-11(6-8-22-13)14(12)19-16(17)20-15/h6,8,10,18H,2-5,7,9H2,1H3,(H2,17,19,20)/t10-/m1/s1.
What are the key properties of 11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine?
11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine has a molecular weight of 315.45 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine is sourced from PubChem (CID 44513554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).